N-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-1,2-oxazole-5-carboxamide

Systemtic Name: N-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-1,2-oxazole-5-carboxamide Openeye Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]isoxazole-5-carboxamide CAS Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-5-isoxazolecarboxamide IUPAC Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-1,2-oxazole-5-carboxamide Traditional Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]isoxazole-5-carboxamide Formula: C21H13ClN6O3 MolecularWeight: 432.81932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N)NC(=O)C4=CC=NO4

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N)NC(=O)C4=CC=NO4

InChI

InChI=1S/C21H13ClN6O3/c22-13-3-7-15(8-4-13)26-21-27-18(16(11-23)19(29)28-21)12-1-5-14(6-2-12)25-20(30)17-9-10-24-31-17/h1-10H,(H,25,30)(H2,26,27,28,29)